SCHEMBL4454288

SCHEMBL4454288

CCCCc1cccc(P(=O)(O)OC2CCCCC2)c1CCCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 1/20 0.38
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCHE P06276 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
NAAA Q02083 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32
MTNR1A P48039 1/20 0.31
ENPP2 Q13822 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4458041 0.94 ALOX5 (0.33) MEN1KMT2ACNR1CNR2ALDH1A1
SCHEMBL4458064 0.90 NPSR1 (0.37) MEN1KMT2ANPSR1LMNAGAA
SCHEMBL4454286 0.88 MEN1 (0.38) MEN1KMT2ANPSR1LMNACNR1
SCHEMBL4461971 0.84 KMT2A (0.39) MEN1KMT2ANPSR1LMNAGAA
SCHEMBL4448725 0.84 ALDH1A1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL4458037 0.81 PTGS2 (0.32) MEN1KMT2ACNR1CNR2ALOX5
SCHEMBL4460813 0.79 ALOX5 (0.40) ALOX5PTGS2
SCHEMBL4454572 0.79 CNR1 (0.39) MEN1KMT2ANPSR1LMNACNR1
SCHEMBL4460867 0.78 ALDH1A1 (0.45) MEN1KMT2AALDH1A1ALOX5PTGS2
SCHEMBL4458061 0.78 MEN1 (0.36) MEN1KMT2ANPSR1LMNAGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed